Basic information
- CAS
120287-10-7- Standard SMILES
O=P(O)(O)C(CO)C(O)(CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl- InChIKey
YZXBXARBRHOBOM-UHFFFAOYSA-N- Molecular formula
- C7H11Cl6O5P
- Average molar mass
- 418.8 g/mol
- Monoisotopic mass
- 415.847527
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol
- IUPAC
- [5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid
- English name
- 1-bis(trichloroethyl)phosphoryl-1,3-propanediol
- Molecular formula
- C7H11Cl6O5P
- Molecular weight
- 418.85
Names & synonyms
1-Btcpp120287-10-71-Bis(trichloroethyl)phosphoryl-1,3-propanediolRefChem:75025[5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acidDTXSID60923302Phosphoric acid, 3-hydroxypropyl bis(2,2,2-trichloroethyl) ester
Database identifiers
- CAS
120287-10-7- PubChem CID
- 129097
- DTXSID
DTXSID60923302
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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